1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine

C12H21F2N — CID 105164066

IUPAC1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2N/c1-3-9(2)8-11(15)10-4-6-12(13,14)7-5-10/h10-11H,2-8,15H2,1H3
InChIKeyVFGWIEOEQRXNKQ-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.50
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine

1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine (PubChem CID 105164066) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine
PubChem CID105164066
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)C1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2N/c1-3-9(2)8-11(15)10-4-6-12(13,14)7-5-10/h10-11H,2-8,15H2,1H3
InChIKeyVFGWIEOEQRXNKQ-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
4-[2-(3,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382272
4-[2-(4,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382274
1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
CID 118401831
2,6-Diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)cyclohex-3-en-1-amine
CID 123409973
1-[4-[4-(2,2-Difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 123744312
4-Methyl-2-(3,3,3-trifluoropropyl)pent-4-en-1-amine
CID 124095435
6-ethyl-2-methyl-4-[(3R)-1,1,1,2,3-pentafluorobutan-2-yl]cyclohex-3-en-1-amine
CID 129016724
8-(3,3-Difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine
CID 129066497
1-(3,3-Difluorocyclohexyl)prop-2-en-1-amine
CID 130484909
5-Fluoro-6-methyl-1-(4-methylcyclohexyl)oct-7-en-4-amine
CID 134389888

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine (CID 105164066) is 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine?
The InChIKey is VFGWIEOEQRXNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-3-9(2)8-11(15)10-4-6-12(13,14)7-5-10/h10-11H,2-8,15H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine?
1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine has a molecular weight of 217.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 105164066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).