[4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid

C10H18F2N2O2 — CID 175970805

IUPAC[4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid
SMILESCC(F)(F)CNC1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H18F2N2O2/c1-10(11,12)6-13-7-2-4-8(5-3-7)14-9(15)16/h7-8,13-14H,2-6H2,1H3,(H,15,16)
InChIKeyLFLXTTLLMWVPEJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP1.81
Rot. Bonds4

About [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid

[4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid (PubChem CID 175970805) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid
PubChem CID175970805
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name[4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid
SMILESCC(F)(F)CNC1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H18F2N2O2/c1-10(11,12)6-13-7-2-4-8(5-3-7)14-9(15)16/h7-8,13-14H,2-6H2,1H3,(H,15,16)
InChIKeyLFLXTTLLMWVPEJ-UHFFFAOYSA-N
XLogP1.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoropropyl)cyclobutanamine
CID 84649304
ethyl 3-(cyclopropylamino)-2,2-difluoropropanoate
CID 143913167
[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]carbamic acid
CID 129247542
[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
CID 156534377
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
(4-iodocyclohexyl)carbamic acid
CID 68625935
N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
CID 43653338
(4-methoxycyclohexyl)carbamic acid
CID 68557751
[4-(iodomethyl)cyclohexyl]carbamic acid
CID 89239782
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
4-[(2-hydroxy-2,3-dimethylbutyl)amino]cyclohexane-1-carboxylic acid
CID 114494786
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid?
The IUPAC name of [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid (CID 175970805) is [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid is CC(F)(F)CNC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid?
The InChIKey is LFLXTTLLMWVPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-10(11,12)6-13-7-2-4-8(5-3-7)14-9(15)16/h7-8,13-14H,2-6H2,1H3,(H,15,16).
What are the key properties of [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid?
[4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid has a molecular weight of 236.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid is sourced from PubChem (CID 175970805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).