3-bromo-1,1-difluoropropane

C3H5BrF2 — CID 18504245

IUPAC3-bromo-1,1-difluoropropane
SMILESFC(F)CCBr
InChIInChI=1S/C3H5BrF2/c4-2-1-3(5)6/h3H,1-2H2
InChIKeyMDVUGRARGLQINO-UHFFFAOYSA-N
MW158.97 g/mol
LogP2.04
Rot. Bonds2

About 3-bromo-1,1-difluoropropane

3-bromo-1,1-difluoropropane (PubChem CID 18504245) has the molecular formula C3H5BrF2 and a molecular weight of 158.97 g/mol. Its IUPAC name is 3-bromo-1,1-difluoropropane.

Molecular Properties

Compound Name3-bromo-1,1-difluoropropane
PubChem CID18504245
Molecular FormulaC3H5BrF2
Molecular Weight158.97 g/mol
Exact Mass157.95
IUPAC Name3-bromo-1,1-difluoropropane
SMILESFC(F)CCBr
InChIInChI=1S/C3H5BrF2/c4-2-1-3(5)6/h3H,1-2H2
InChIKeyMDVUGRARGLQINO-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.97
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluorobutane;ethane
CID 164925096
1,1,7,7-tetrafluoroheptane
CID 87478513
2-bromoethyl(trimethyl)phosphanium
CID 22909796
(2S)-4-bromo-2-fluorobutan-1-imine
CID 144573245
1-bromo-10-fluorononacosane
CID 150013801
N-(3,3-difluoropropyl)-3,3-difluoropropan-1-amine
CID 12032290
1,3-dibromopropan-1-ol
CID 18177636
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110
4-bromo-N-ethylbutan-2-amine
CID 83179522
(3R)-1,3-dibromoheptane
CID 129379896
N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine
CID 107487764
4-bromo-2-(2-bromoethyl)butan-1-ol
CID 144850163

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1-difluoropropane?
The IUPAC name of 3-bromo-1,1-difluoropropane (CID 18504245) is 3-bromo-1,1-difluoropropane.
What is the SMILES notation for 3-bromo-1,1-difluoropropane?
The canonical SMILES for 3-bromo-1,1-difluoropropane is FC(F)CCBr.
What is the InChIKey of 3-bromo-1,1-difluoropropane?
The InChIKey is MDVUGRARGLQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrF2/c4-2-1-3(5)6/h3H,1-2H2.
What are the key properties of 3-bromo-1,1-difluoropropane?
3-bromo-1,1-difluoropropane has a molecular weight of 158.97 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1-difluoropropane is sourced from PubChem (CID 18504245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).