4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine

C10H16F3N — CID 115519753

IUPAC4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine
SMILESNC1CCC(=CCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)7-1-2-8-3-5-9(14)6-4-8/h2,9H,1,3-7,14H2/b8-2-
InChIKeyUDIXFAJCIZSFJF-WAPJZHGLSA-N
MW207.24 g/mol
LogP3.16
Rot. Bonds2

About 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine

4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine (PubChem CID 115519753) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine
PubChem CID115519753
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine
SMILESNC1CCC(=CCCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)7-1-2-8-3-5-9(14)6-4-8/h2,9H,1,3-7,14H2/b8-2-
InChIKeyUDIXFAJCIZSFJF-WAPJZHGLSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.16
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

4-pent-4-enylidenecyclohexan-1-amine
CID 79880307
4-pentylidenecyclohexan-1-amine
CID 79880726
(4Z)-4-(4,4,4-trifluorobutylidene)azepane
CID 103983649
3-(4,4,4-trifluorobutylidene)azetidine
CID 115519754
3-pent-4-enylidenecyclopentan-1-amine
CID 79880654
4-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 83262332
(3Z)-3-hept-6-enylidenecyclopentan-1-amine
CID 107010634
3-propylidenecyclopentan-1-amine
CID 79876230
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
2-(4-propylcyclohexylidene)ethanamine
CID 63969880
4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine
CID 103019514
2-(4-ethylcyclohexylidene)ethanamine
CID 63970724

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine?
The IUPAC name of 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine (CID 115519753) is 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine is NC1CCC(=CCCC(F)(F)F)CC1.
What is the InChIKey of 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine?
The InChIKey is UDIXFAJCIZSFJF-WAPJZHGLSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)7-1-2-8-3-5-9(14)6-4-8/h2,9H,1,3-7,14H2/b8-2-.
What are the key properties of 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine?
4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine is sourced from PubChem (CID 115519753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).