1,3-bis(1-fluoropropoxy)benzene

C12H16F2O2 — CID 22027155

IUPAC1,3-bis(1-fluoropropoxy)benzene
SMILESCCC(F)Oc1cccc(OC(F)CC)c1
InChIInChI=1S/C12H16F2O2/c1-3-11(13)15-9-6-5-7-10(8-9)16-12(14)4-2/h5-8,11-12H,3-4H2,1-2H3
InChIKeyYCTSHLAZCRRBIP-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.86
Rot. Bonds6

About 1,3-bis(1-fluoropropoxy)benzene

1,3-bis(1-fluoropropoxy)benzene (PubChem CID 22027155) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1,3-bis(1-fluoropropoxy)benzene.

Molecular Properties

Compound Name1,3-bis(1-fluoropropoxy)benzene
PubChem CID22027155
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1,3-bis(1-fluoropropoxy)benzene
SMILESCCC(F)Oc1cccc(OC(F)CC)c1
InChIInChI=1S/C12H16F2O2/c1-3-11(13)15-9-6-5-7-10(8-9)16-12(14)4-2/h5-8,11-12H,3-4H2,1-2H3
InChIKeyYCTSHLAZCRRBIP-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-bis(1-fluoropropoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-di(pentan-3-yloxy)benzene
CID 91386050
1-[3-(1-aminopropoxy)phenoxy]propan-1-amine
CID 21123306
3-(1-fluorobutoxy)phenol
CID 174949464
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
1-[3-[(2-methylpropan-2-yl)oxy]phenoxy]propan-1-amine
CID 67825712
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
2-chloro-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 146008921

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-fluoropropoxy)benzene?
The IUPAC name of 1,3-bis(1-fluoropropoxy)benzene (CID 22027155) is 1,3-bis(1-fluoropropoxy)benzene.
What is the SMILES notation for 1,3-bis(1-fluoropropoxy)benzene?
The canonical SMILES for 1,3-bis(1-fluoropropoxy)benzene is CCC(F)Oc1cccc(OC(F)CC)c1.
What is the InChIKey of 1,3-bis(1-fluoropropoxy)benzene?
The InChIKey is YCTSHLAZCRRBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-3-11(13)15-9-6-5-7-10(8-9)16-12(14)4-2/h5-8,11-12H,3-4H2,1-2H3.
What are the key properties of 1,3-bis(1-fluoropropoxy)benzene?
1,3-bis(1-fluoropropoxy)benzene has a molecular weight of 230.25 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-fluoropropoxy)benzene is sourced from PubChem (CID 22027155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).