1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole

C11H13F5N2 — CID 175828671

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole
SMILESFC1(F)CCC(Cn2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H13F5N2/c12-10(13)3-1-8(2-4-10)6-18-7-9(5-17-18)11(14,15)16/h5,7-8H,1-4,6H2
InChIKeyIHSPRRLIVASUKP-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.73
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole

1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole (PubChem CID 175828671) has the molecular formula C11H13F5N2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole
PubChem CID175828671
Molecular FormulaC11H13F5N2
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole
SMILESFC1(F)CCC(Cn2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H13F5N2/c12-10(13)3-1-8(2-4-10)6-18-7-9(5-17-18)11(14,15)16/h5,7-8H,1-4,6H2
InChIKeyIHSPRRLIVASUKP-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole (CID 175828671) is 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole is FC1(F)CCC(Cn2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole?
The InChIKey is IHSPRRLIVASUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5N2/c12-10(13)3-1-8(2-4-10)6-18-7-9(5-17-18)11(14,15)16/h5,7-8H,1-4,6H2.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole?
1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole has a molecular weight of 268.23 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 175828671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).