carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine

C9H16F3NO4 — CID 71246267

IUPACcarbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(C(F)(F)F)CCC(N)CC1.O=C(O)O
InChIInChI=1S/C8H14F3NO.CH2O3/c1-13-7(8(9,10)11)4-2-6(12)3-5-7;2-1(3)4/h6H,2-5,12H2,1H3;(H2,2,3,4)
InChIKeyVFDVZFUNLTUXNY-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.06
Rot. Bonds1

About carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine

carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 71246267) has the molecular formula C9H16F3NO4 and a molecular weight of 259.22 g/mol. Its IUPAC name is carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecarbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID71246267
Molecular FormulaC9H16F3NO4
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC Namecarbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(C(F)(F)F)CCC(N)CC1.O=C(O)O
InChIInChI=1S/C8H14F3NO.CH2O3/c1-13-7(8(9,10)11)4-2-6(12)3-5-7;2-1(3)4/h6H,2-5,12H2,1H3;(H2,2,3,4)
InChIKeyVFDVZFUNLTUXNY-UHFFFAOYSA-N
XLogP2.06
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-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

4-Amino-1-methylcyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 70235575
(4-Amino-1-methylcyclohexyl) 2,2,2-trifluoroacetate
CID 70235576
4-Methoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 71246268
4-Amino-1-(1,1-difluoro-2-methoxyethyl)cyclohexan-1-ol
CID 163294779
4-Amino-1-(1,1-difluoro-3-methoxypropyl)cyclohexan-1-ol
CID 163295668
4-(Difluoromethyl)-4-methoxycyclohexan-1-amine
CID 163295995

Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine (CID 71246267) is carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine is COC1(C(F)(F)F)CCC(N)CC1.O=C(O)O.
What is the InChIKey of carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VFDVZFUNLTUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO.CH2O3/c1-13-7(8(9,10)11)4-2-6(12)3-5-7;2-1(3)4/h6H,2-5,12H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine?
carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 259.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-methoxy-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 71246267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).