[1-(2,2-difluoroethoxy)cyclohexyl]methanamine

C9H17F2NO — CID 65050936

IUPAC[1-(2,2-difluoroethoxy)cyclohexyl]methanamine
SMILESNCC1(OCC(F)F)CCCCC1
InChIInChI=1S/C9H17F2NO/c10-8(11)6-13-9(7-12)4-2-1-3-5-9/h8H,1-7,12H2
InChIKeyQFEVJZURDFUUMW-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.93
Rot. Bonds4

About [1-(2,2-difluoroethoxy)cyclohexyl]methanamine

[1-(2,2-difluoroethoxy)cyclohexyl]methanamine (PubChem CID 65050936) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxy)cyclohexyl]methanamine
PubChem CID65050936
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[1-(2,2-difluoroethoxy)cyclohexyl]methanamine
SMILESNCC1(OCC(F)F)CCCCC1
InChIInChI=1S/C9H17F2NO/c10-8(11)6-13-9(7-12)4-2-1-3-5-9/h8H,1-7,12H2
InChIKeyQFEVJZURDFUUMW-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
[4-(Difluoromethyl)-1-methoxycyclohexyl]methanamine
CID 122164072
(1-Methoxycyclohexyl)methanamine
CID 15495971
C-(4,4-Difluoro-1-methoxy-cyclohexyl)-methylamine hydrochloride
CID 121393453
(4,4-Difluoro-1-methoxycyclohexyl)methanamine
CID 121393454
2-{[1-(Aminomethyl)-4,4-difluorocyclohexyl]oxy}ethan-1-ol
CID 125424356
4-(2-Aminoethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 167064930
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
[4-Propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110251
[3-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 62110277
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(2,2-difluoroethoxy)cyclohexyl]methanamine (CID 65050936) is [1-(2,2-difluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethoxy)cyclohexyl]methanamine is NCC1(OCC(F)F)CCCCC1.
What is the InChIKey of [1-(2,2-difluoroethoxy)cyclohexyl]methanamine?
The InChIKey is QFEVJZURDFUUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-8(11)6-13-9(7-12)4-2-1-3-5-9/h8H,1-7,12H2.
What are the key properties of [1-(2,2-difluoroethoxy)cyclohexyl]methanamine?
[1-(2,2-difluoroethoxy)cyclohexyl]methanamine has a molecular weight of 193.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65050936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).