4-(3,3-difluoropropoxy)cyclohexan-1-amine

C9H17F2NO — CID 172566327

IUPAC4-(3,3-difluoropropoxy)cyclohexan-1-amine
SMILESNC1CCC(OCCC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c10-9(11)5-6-13-8-3-1-7(12)2-4-8/h7-9H,1-6,12H2
InChIKeyALJPKHHQCDBUMC-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.93
Rot. Bonds4

About 4-(3,3-difluoropropoxy)cyclohexan-1-amine

4-(3,3-difluoropropoxy)cyclohexan-1-amine (PubChem CID 172566327) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(3,3-difluoropropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,3-difluoropropoxy)cyclohexan-1-amine
PubChem CID172566327
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(3,3-difluoropropoxy)cyclohexan-1-amine
SMILESNC1CCC(OCCC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c10-9(11)5-6-13-8-3-1-7(12)2-4-8/h7-9H,1-6,12H2
InChIKeyALJPKHHQCDBUMC-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

4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
4-(2-propoxyethoxy)cyclohexan-1-amine
CID 63684379
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
4-(2-ethylsulfanylethoxy)cyclohexan-1-amine
CID 102729302
4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
CID 65098075
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
4-(2,2-difluoroethyl)cyclohexan-1-amine
CID 84716905
(3R)-1-cyclopropyloxy-5-methylhexan-3-amine
CID 177282057
1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane
CID 114959357
4-(3-methylsulfonylpropoxy)cyclohexan-1-amine
CID 63191393
4-[2-(3,3-dimethylazetidin-1-yl)ethoxy]cyclohexan-1-amine
CID 79677208
3-(2-ethoxyethoxy)cyclopentan-1-amine
CID 79465467

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3,3-difluoropropoxy)cyclohexan-1-amine (CID 172566327) is 4-(3,3-difluoropropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3,3-difluoropropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3,3-difluoropropoxy)cyclohexan-1-amine is NC1CCC(OCCC(F)F)CC1.
What is the InChIKey of 4-(3,3-difluoropropoxy)cyclohexan-1-amine?
The InChIKey is ALJPKHHQCDBUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)5-6-13-8-3-1-7(12)2-4-8/h7-9H,1-6,12H2.
What are the key properties of 4-(3,3-difluoropropoxy)cyclohexan-1-amine?
4-(3,3-difluoropropoxy)cyclohexan-1-amine 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 4-(3,3-difluoropropoxy)cyclohexan-1-amine is sourced from PubChem (CID 172566327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).