tert-butyl N-(3,5-difluorohexan-2-yl)carbamate

C11H21F2NO2 — CID 166971903

IUPACtert-butyl N-(3,5-difluorohexan-2-yl)carbamate
SMILESCC(F)CC(F)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21F2NO2/c1-7(12)6-9(13)8(2)14-10(15)16-11(3,4)5/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyDXKHSTMWEDHTAL-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl N-(3,5-difluorohexan-2-yl)carbamate

tert-butyl N-(3,5-difluorohexan-2-yl)carbamate (PubChem CID 166971903) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is tert-butyl N-(3,5-difluorohexan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,5-difluorohexan-2-yl)carbamate
PubChem CID166971903
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-(3,5-difluorohexan-2-yl)carbamate
SMILESCC(F)CC(F)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21F2NO2/c1-7(12)6-9(13)8(2)14-10(15)16-11(3,4)5/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyDXKHSTMWEDHTAL-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-(3,5-difluorohexan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl N-[(2S,3S)-4-amino-3-methyl-4-oxobutan-2-yl]carbamate
CID 130935417
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 71435357
(2R)-4-methyl-2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentanoic acid
CID 129251365
tert-butyl N-(5-bromo-3-methyl-4-oxopentan-2-yl)carbamate
CID 104701941
tert-butyl N-[(2R,3S)-3,4-dimethylpentan-2-yl]carbamate
CID 174039144
tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
CID 172915809
tert-butyl N-(3-amino-4,4,4-trifluorobutan-2-yl)carbamate
CID 130681792
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
CID 107247716

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,5-difluorohexan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3,5-difluorohexan-2-yl)carbamate (CID 166971903) is tert-butyl N-(3,5-difluorohexan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3,5-difluorohexan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3,5-difluorohexan-2-yl)carbamate is CC(F)CC(F)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3,5-difluorohexan-2-yl)carbamate?
The InChIKey is DXKHSTMWEDHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-7(12)6-9(13)8(2)14-10(15)16-11(3,4)5/h7-9H,6H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-(3,5-difluorohexan-2-yl)carbamate?
tert-butyl N-(3,5-difluorohexan-2-yl)carbamate has a molecular weight of 237.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,5-difluorohexan-2-yl)carbamate is sourced from PubChem (CID 166971903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).