tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate

C11H17F2NO2 — CID 129026517

IUPACtert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC1=C(F)F
InChIInChI=1S/C11H17F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h8H,4-6H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyLNRLSPNPZLQQBB-QMMMGPOBSA-N
MW233.26 g/mol
LogP3.21
Rot. Bonds1

About tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate

tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate (PubChem CID 129026517) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
PubChem CID129026517
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Nametert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCC1=C(F)F
InChIInChI=1S/C11H17F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h8H,4-6H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyLNRLSPNPZLQQBB-QMMMGPOBSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
CID 171829556
tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
CID 118155899
tert-butyl N-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
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tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate
CID 118130143
tert-butyl N-[(1S)-6-[(1R)-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 129385774
tert-butyl N-[(1R)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-[(1S)-7-amino-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate;tert-butyl N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 158735522
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
tert-butyl N-[(3S)-2-sulfanylideneazepan-3-yl]carbamate
CID 91546648
tert-butyl N-[(1R)-5-[5-[(5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 164817450
tert-butyl N-[(6S)-7-(hydroxyamino)-3,4,5,6-tetrahydro-2H-azepin-6-yl]carbamate
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tert-butyl N-(4-methylidenecycloheptyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate (CID 129026517) is tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCC1=C(F)F.
What is the InChIKey of tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate?
The InChIKey is LNRLSPNPZLQQBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h8H,4-6H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate?
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate has a molecular weight of 233.26 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate is sourced from PubChem (CID 129026517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).