N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine

C10H16F3N — CID 115890850

IUPACN-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine
SMILESCC(CC(F)(F)F)NC1CC=CCC1
InChIInChI=1S/C10H16F3N/c1-8(7-10(11,12)13)14-9-5-3-2-4-6-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyAEWCHFTZCPMBBA-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.03
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine

N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine (PubChem CID 115890850) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine
PubChem CID115890850
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine
SMILESCC(CC(F)(F)F)NC1CC=CCC1
InChIInChI=1S/C10H16F3N/c1-8(7-10(11,12)13)14-9-5-3-2-4-6-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyAEWCHFTZCPMBBA-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
4-Hexenylamine, N,1-dimethyl-
CID 6435019
(E)-2-fluoro-N,5-dimethylhept-5-en-3-amine
CID 163676181
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881
(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
CID 55286801
trans-2,6-Dipropyl-1,2,3,6-tetrahydropyridine
CID 129760154
trans-2,6-Dipropyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 129814177
N-[(E)-1,1,1-trifluorodec-2-en-4-yl]cyclohexanamine
CID 11033637
(E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine
CID 25215699

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine (CID 115890850) is N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine is CC(CC(F)(F)F)NC1CC=CCC1.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine?
The InChIKey is AEWCHFTZCPMBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-8(7-10(11,12)13)14-9-5-3-2-4-6-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine?
N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 115890850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).