(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane

C9H14ClF3 — CID 149058767

IUPAC(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane
SMILESCC(Cl)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14ClF3/c1-8(10,9(11,12)13)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyQLIVQZQFAPDSCP-UHFFFAOYSA-N
MW214.66 g/mol
LogP4.13
Rot. Bonds1

About (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane

(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane (PubChem CID 149058767) has the molecular formula C9H14ClF3 and a molecular weight of 214.66 g/mol. Its IUPAC name is (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane
PubChem CID149058767
Molecular FormulaC9H14ClF3
Molecular Weight214.66 g/mol
Exact Mass214.07
IUPAC Name(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane
SMILESCC(Cl)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14ClF3/c1-8(10,9(11,12)13)7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyQLIVQZQFAPDSCP-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-1,1,1-trifluoropropan-2-yl)cyclopentane
CID 161477693
[(1S)-1,2-dichloro-1,2,2-trifluoroethyl]cyclohexane
CID 95049167
2-chloropropan-2-ylcyclopentane;silane
CID 174574242
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
1-cyclohexyl-1,1,3,3,3-pentafluoro-2-methylpropan-2-ol
CID 90817555
(1,1,1-trifluoro-2-iodopropan-2-yl)cyclopentane
CID 67943908
tert-butylcyclopentadecane
CID 164774831
but-2-yne;1,1-difluoroethylcyclohexane
CID 169190593
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclopentane
CID 175402800
tert-butylcyclopentane;bis(cyclopentane);1,1-difluoroethylcyclopentane;ethane;hydrate
CID 162282781
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
[difluoro(methoxy)methyl]cyclohexane
CID 14491590

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane?
The IUPAC name of (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane (CID 149058767) is (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane.
What is the SMILES notation for (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane?
The canonical SMILES for (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane is CC(Cl)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane?
The InChIKey is QLIVQZQFAPDSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3/c1-8(10,9(11,12)13)7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane?
(2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane has a molecular weight of 214.66 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,1,1-trifluoropropan-2-yl)cyclohexane is sourced from PubChem (CID 149058767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).