1-propyl-3-(trifluoromethyl)cyclohexane

C10H17F3 — CID 142650129

IUPAC1-propyl-3-(trifluoromethyl)cyclohexane
SMILESCCCC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3/c1-2-4-8-5-3-6-9(7-8)10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyJONJWKCLTNTCIX-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.16
Rot. Bonds2

About 1-propyl-3-(trifluoromethyl)cyclohexane

1-propyl-3-(trifluoromethyl)cyclohexane (PubChem CID 142650129) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-propyl-3-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-propyl-3-(trifluoromethyl)cyclohexane
PubChem CID142650129
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1-propyl-3-(trifluoromethyl)cyclohexane
SMILESCCCC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3/c1-2-4-8-5-3-6-9(7-8)10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyJONJWKCLTNTCIX-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite
CID 166885819
1-ethyl-3-propylcyclohexane
CID 22129036
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
propylcyclotetradecane
CID 90991550
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
3-propylbicyclo[5.1.0]octane
CID 123651402
1-chloro-3-propylcyclohexane
CID 64516368
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
1-methyl-4-propylcycloheptane
CID 90967653
1-methyl-5-propylcyclononane
CID 54361658

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-propyl-3-(trifluoromethyl)cyclohexane (CID 142650129) is 1-propyl-3-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-propyl-3-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-propyl-3-(trifluoromethyl)cyclohexane is CCCC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-propyl-3-(trifluoromethyl)cyclohexane?
The InChIKey is JONJWKCLTNTCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-2-4-8-5-3-6-9(7-8)10(11,12)13/h8-9H,2-7H2,1H3.
What are the key properties of 1-propyl-3-(trifluoromethyl)cyclohexane?
1-propyl-3-(trifluoromethyl)cyclohexane has a molecular weight of 194.24 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 142650129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).