3-cyclohexyl-3-(difluoromethoxy)propan-1-amine

C10H19F2NO — CID 84722392

IUPAC3-cyclohexyl-3-(difluoromethoxy)propan-1-amine
SMILESNCCC(OC(F)F)C1CCCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)14-9(6-7-13)8-4-2-1-3-5-8/h8-10H,1-7,13H2
InChIKeyXWIVDQXLEJGOBC-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.52
Rot. Bonds5

About 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine

3-cyclohexyl-3-(difluoromethoxy)propan-1-amine (PubChem CID 84722392) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-3-(difluoromethoxy)propan-1-amine
PubChem CID84722392
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-cyclohexyl-3-(difluoromethoxy)propan-1-amine
SMILESNCCC(OC(F)F)C1CCCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)14-9(6-7-13)8-4-2-1-3-5-8/h8-10H,1-7,13H2
InChIKeyXWIVDQXLEJGOBC-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.52
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
rac-[(1R,2R)-2-methoxycyclohexyl]methanamine
CID 93044825
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
1-[(2R)-3,3,3-trifluoro-2-methoxypropyl]cyclohexane-1,4-diamine
CID 123911581
1-[3-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347142
[4-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347145
[2-(Trifluoromethoxy)cyclohexyl]methanamine
CID 140478902
(2-Fluoro-6-methoxycyclohexyl)methanamine
CID 140479012
(5-Fluoro-2-methoxycyclohexyl)methanamine
CID 156542195
[4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43329445
[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine?
The IUPAC name of 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine (CID 84722392) is 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine is NCCC(OC(F)F)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine?
The InChIKey is XWIVDQXLEJGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12)14-9(6-7-13)8-4-2-1-3-5-8/h8-10H,1-7,13H2.
What are the key properties of 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine?
3-cyclohexyl-3-(difluoromethoxy)propan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(difluoromethoxy)propan-1-amine is sourced from PubChem (CID 84722392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).