1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane

C10H17F3 — CID 162553460

IUPAC1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
SMILESCC1CCC(C(C)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3/c1-7-3-5-9(6-4-7)8(2)10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyUZCLTRSRHFVZJV-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.01
Rot. Bonds1

About 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane

1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane (PubChem CID 162553460) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
PubChem CID162553460
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
SMILESCC1CCC(C(C)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3/c1-7-3-5-9(6-4-7)8(2)10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyUZCLTRSRHFVZJV-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane?
The IUPAC name of 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane (CID 162553460) is 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane?
The canonical SMILES for 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane is CC1CCC(C(C)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane?
The InChIKey is UZCLTRSRHFVZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-7-3-5-9(6-4-7)8(2)10(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane?
1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane has a molecular weight of 194.24 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane is sourced from PubChem (CID 162553460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).