tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate

C14H26F2N2O3 — CID 103948695

IUPACtert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC(O)C(F)F
InChIInChI=1S/C14H26F2N2O3/c1-14(2,3)21-13(20)18-7-9-5-4-6-10(9)17-8-11(19)12(15)16/h9-12,17,19H,4-8H2,1-3H3,(H,18,20)
InChIKeyGGHCCCXCCHCJMW-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.90
Rot. Bonds6

About tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate (PubChem CID 103948695) has the molecular formula C14H26F2N2O3 and a molecular weight of 308.37 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate
PubChem CID103948695
Molecular FormulaC14H26F2N2O3
Molecular Weight308.37 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC(O)C(F)F
InChIInChI=1S/C14H26F2N2O3/c1-14(2,3)21-13(20)18-7-9-5-4-6-10(9)17-8-11(19)12(15)16/h9-12,17,19H,4-8H2,1-3H3,(H,18,20)
InChIKeyGGHCCCXCCHCJMW-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S,3S)-1-(2-hydroxyethyl)-2-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125421891
tert-butyl N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)carbamate
CID 14720037
tert-butyl N-(6-amino-5,5-difluoro-4-hydroxy-2-methylhexan-3-yl)carbamate
CID 88612782
tert-butyl N-[[2-(3,3,3-trifluoropropylamino)cyclopentyl]methyl]carbamate
CID 65834943
tert-butyl N-[[2-(2,2,2-trifluoroethylamino)cyclopentyl]methyl]carbamate
CID 65839758
tert-butyl N-[[2-(2,2,2-trifluoroethoxyamino)cyclopentyl]methyl]carbamate
CID 82711430
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103082598
tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate
CID 103529339
tert-butyl N-[[2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103695799
tert-butyl N-[[2-(4,4,4-trifluorobutan-2-ylamino)cyclopentyl]methyl]carbamate
CID 103786217
tert-butyl N-[[2-(4,4,4-trifluorobutylamino)cyclopentyl]methyl]carbamate
CID 103841349
tert-butyl N-[[2-(5,5,5-trifluoropentylamino)cyclopentyl]methyl]carbamate
CID 103841355

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate (CID 103948695) is tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCC(O)C(F)F.
What is the InChIKey of tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is GGHCCCXCCHCJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O3/c1-14(2,3)21-13(20)18-7-9-5-4-6-10(9)17-8-11(19)12(15)16/h9-12,17,19H,4-8H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 308.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(3,3-difluoro-2-hydroxypropyl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103948695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).