[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C9H11F4NO — CID 175876207

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CC[C@H](F)C1)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H11F4NO/c10-6-1-4-14(5-6)7(15)8(2-3-8)9(11,12)13/h6H,1-5H2/t6-/m0/s1
InChIKeyAIIGLCNOHRYYBQ-LURJTMIESA-N
MW225.18 g/mol
LogP1.90
Rot. Bonds1

About [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 175876207) has the molecular formula C9H11F4NO and a molecular weight of 225.18 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID175876207
Molecular FormulaC9H11F4NO
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CC[C@H](F)C1)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H11F4NO/c10-6-1-4-14(5-6)7(15)8(2-3-8)9(11,12)13/h6H,1-5H2/t6-/m0/s1
InChIKeyAIIGLCNOHRYYBQ-LURJTMIESA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-aminopyrrolidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513724
(4-hydroxypiperidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 166513698
pyrrolidin-1-yl-[1-(trifluoromethyl)cyclopropyl]methanone
CID 130382404
[4-(aminomethyl)piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513702
[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513712
(3-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513714
1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 175285784
(3-propan-2-ylazetidin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 58054361
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 171999583
(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114678268
3-fluoropyrrolidine-1-carbonyl chloride
CID 175546868

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 175876207) is [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(N1CC[C@H](F)C1)C1(C(F)(F)F)CC1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is AIIGLCNOHRYYBQ-LURJTMIESA-N. The full InChI is InChI=1S/C9H11F4NO/c10-6-1-4-14(5-6)7(15)8(2-3-8)9(11,12)13/h6H,1-5H2/t6-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 225.18 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 175876207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).