4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine

C10H18F3N — CID 63897525

IUPAC4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-7(2)8-3-5-9(14,6-4-8)10(11,12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyQVQOLVRQAUGMOC-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.09
Rot. Bonds1

About 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine

4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 63897525) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine
PubChem CID63897525
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(N)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N/c1-7(2)8-3-5-9(14,6-4-8)10(11,12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyQVQOLVRQAUGMOC-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine (CID 63897525) is 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine is CC(C)C1CCC(N)(C(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is QVQOLVRQAUGMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-7(2)8-3-5-9(14,6-4-8)10(11,12)13/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine?
4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 63897525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).