1-chloro-1,1,3,3,3-pentafluoropropan-2-one

C3ClF5O — CID 6601

IUPAC1-chloro-1,1,3,3,3-pentafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C3ClF5O/c4-2(5,6)1(10)3(7,8)9
InChIKeyOJUUDWYPNQALHZ-UHFFFAOYSA-N
MW182.47 g/mol
LogP1.95
Rot. Bonds1

About 1-chloro-1,1,3,3,3-pentafluoropropan-2-one

1-chloro-1,1,3,3,3-pentafluoropropan-2-one (PubChem CID 6601) has the molecular formula C3ClF5O and a molecular weight of 182.47 g/mol. Its IUPAC name is 1-chloro-1,1,3,3,3-pentafluoropropan-2-one.

Molecular Properties

Compound Name1-chloro-1,1,3,3,3-pentafluoropropan-2-one
PubChem CID6601
Molecular FormulaC3ClF5O
Molecular Weight182.47 g/mol
Exact Mass181.96
IUPAC Name1-chloro-1,1,3,3,3-pentafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C3ClF5O/c4-2(5,6)1(10)3(7,8)9
InChIKeyOJUUDWYPNQALHZ-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dichlorotetrafluoroacetone
CID 31376
1,1,3-Trichlorotrifluoroacetone
CID 66233
1,1,1-Trichloro-3,3,3-trifluoroacetone
CID 69796
Chloropentafluoroacetone Monohydrate
CID 23616285
2-Propanone, 1-chloro-1,1,3,3-tetrafluoro-
CID 136702
1,1-Dichloro-1,3,3,3-tetrafluoropropan-2-one
CID 13683296
3-Chloroheptafluoro-2-butanone
CID 15564851
1,3-Dichlorotetrafluoroacetone-water
CID 19804522
1-Chloro-1,1,3-trifluoro-2-propanone
CID 14433982
1-Chloro-1,1,3,3-tetrafluoro-3-iodopropan-2-one
CID 11748295
1-Chloro-1,1,3,3,4,4,4-heptafluorobutan-2-one
CID 15916236
1-Chloro-1,3,3,3-tetrafluoro-1-iodopropan-2-one
CID 23501589

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1,3,3,3-pentafluoropropan-2-one?
The IUPAC name of 1-chloro-1,1,3,3,3-pentafluoropropan-2-one (CID 6601) is 1-chloro-1,1,3,3,3-pentafluoropropan-2-one.
What is the SMILES notation for 1-chloro-1,1,3,3,3-pentafluoropropan-2-one?
The canonical SMILES for 1-chloro-1,1,3,3,3-pentafluoropropan-2-one is O=C(C(F)(F)F)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1,3,3,3-pentafluoropropan-2-one?
The InChIKey is OJUUDWYPNQALHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3ClF5O/c4-2(5,6)1(10)3(7,8)9.
What are the key properties of 1-chloro-1,1,3,3,3-pentafluoropropan-2-one?
1-chloro-1,1,3,3,3-pentafluoropropan-2-one has a molecular weight of 182.47 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,3,3,3-pentafluoropropan-2-one is sourced from PubChem (CID 6601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).