1,3-bis(fluoromethyl)benzene

C8H8F2 — CID 23234185

IUPAC1,3-bis(fluoromethyl)benzene
SMILESFCc1cccc(CF)c1
InChIInChI=1S/C8H8F2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
InChIKeyCSWGHVOWBGYQII-UHFFFAOYSA-N
MW142.15 g/mol
LogP2.63
Rot. Bonds2

About 1,3-bis(fluoromethyl)benzene

1,3-bis(fluoromethyl)benzene (PubChem CID 23234185) has the molecular formula C8H8F2 and a molecular weight of 142.15 g/mol. Its IUPAC name is 1,3-bis(fluoromethyl)benzene.

Molecular Properties

Compound Name1,3-bis(fluoromethyl)benzene
PubChem CID23234185
Molecular FormulaC8H8F2
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name1,3-bis(fluoromethyl)benzene
SMILESFCc1cccc(CF)c1
InChIInChI=1S/C8H8F2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
InChIKeyCSWGHVOWBGYQII-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[3-(fluoromethyl)phenyl]methanamine
CID 58789244
1,3,5-tris(fluoromethyl)benzene
CID 91293384
4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
3-(fluoromethyl)benzoyl chloride
CID 88536338
2-[3-(fluoromethyl)phenyl]propan-2-ol
CID 12844398
1-[3-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276391
2-[3-(fluoromethyl)phenyl]propan-1-amine
CID 84652810
3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
CID 117278674
3-[3-(fluoromethyl)phenyl]prop-2-enenitrile
CID 66667064
2-(fluoromethyl)anthracene
CID 175235135
N-[[3-(fluoromethyl)phenyl]methyl]-4-hydrazinyl-4-oxobutanamide
CID 118494424
2-[3-(fluoromethyl)phenyl]benzene-1,4-diamine
CID 18371722

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(fluoromethyl)benzene?
The IUPAC name of 1,3-bis(fluoromethyl)benzene (CID 23234185) is 1,3-bis(fluoromethyl)benzene.
What is the SMILES notation for 1,3-bis(fluoromethyl)benzene?
The canonical SMILES for 1,3-bis(fluoromethyl)benzene is FCc1cccc(CF)c1.
What is the InChIKey of 1,3-bis(fluoromethyl)benzene?
The InChIKey is CSWGHVOWBGYQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2.
What are the key properties of 1,3-bis(fluoromethyl)benzene?
1,3-bis(fluoromethyl)benzene has a molecular weight of 142.15 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(fluoromethyl)benzene is sourced from PubChem (CID 23234185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).