(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one

C10H10ClFO — CID 125488677

IUPAC(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
SMILESCC(=O)[C@](C)(F)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFO/c1-7(13)10(2,12)8-3-5-9(11)6-4-8/h3-6H,1-2H3/t10-/m0/s1
InChIKeyRJZTWISDESFAIL-JTQLQIEISA-N
MW200.64 g/mol
LogP3.11
Rot. Bonds2

About (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one

(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one (PubChem CID 125488677) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
PubChem CID125488677
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
SMILESCC(=O)[C@](C)(F)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFO/c1-7(13)10(2,12)8-3-5-9(11)6-4-8/h3-6H,1-2H3/t10-/m0/s1
InChIKeyRJZTWISDESFAIL-JTQLQIEISA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
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(3S)-3-(4-chlorophenyl)-4-ethyl-3-methylhexan-2-one
CID 142471555
2-(4-chlorophenyl)propan-2-yl acetate
CID 23447101
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide
CID 159787868
2-(4-chlorophenyl)butan-2-yl acetate
CID 177419168
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521
2-(4-chlorophenyl)-N,N,2-trimethylpropanamide
CID 71939020
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one (CID 125488677) is (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one is CC(=O)[C@](C)(F)c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one?
The InChIKey is RJZTWISDESFAIL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10ClFO/c1-7(13)10(2,12)8-3-5-9(11)6-4-8/h3-6H,1-2H3/t10-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one?
(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one has a molecular weight of 200.64 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one is sourced from PubChem (CID 125488677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).