(3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone

C9H11F2N3O — CID 130484848

IUPAC(3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C9H11F2N3O/c1-14-7(5-12-13-14)8(15)6-2-3-9(10,11)4-6/h5-6H,2-4H2,1H3
InChIKeySBHFPXVCKSEXTL-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.43
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone

(3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone (PubChem CID 130484848) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone
PubChem CID130484848
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name(3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C9H11F2N3O/c1-14-7(5-12-13-14)8(15)6-2-3-9(10,11)4-6/h5-6H,2-4H2,1H3
InChIKeySBHFPXVCKSEXTL-UHFFFAOYSA-N
XLogP1.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2,2-Difluorocyclobutyl)methyl]triazol-4-yl]ethanone
CID 168387324
2-Cyclopropyl-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethanone
CID 175926411
1-[1-(Cyclohexylmethyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 55092154
1-[1-(Cyclopentylmethyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 55134441
1-[1-(2-Ethylhexyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580162
3,3,3-Trifluoro-1-(3-methyltriazol-4-yl)-2-(trifluoromethyl)propan-1-one
CID 103311585
(3-Propyltriazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129398
(3-Propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105129401
(3-Propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105129456
(3-Methyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105131356
(4,4-Difluorocyclohexyl)-(3-methyltriazol-4-yl)methanone
CID 105131375
(3-Methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105131398

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone (CID 130484848) is (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone is Cn1nncc1C(=O)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone?
The InChIKey is SBHFPXVCKSEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-14-7(5-12-13-14)8(15)6-2-3-9(10,11)4-6/h5-6H,2-4H2,1H3.
What are the key properties of (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone?
(3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone has a molecular weight of 215.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130484848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).