1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene

C17H25BrF2O — CID 151671980

IUPAC1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene
SMILESFC(F)CCCCCCCCCOc1ccc(CBr)cc1
InChIInChI=1S/C17H25BrF2O/c18-14-15-9-11-16(12-10-15)21-13-7-5-3-1-2-4-6-8-17(19)20/h9-12,17H,1-8,13-14H2
InChIKeyQYTAIDOOMLEAPT-UHFFFAOYSA-N
MW363.29 g/mol
LogP6.35
Rot. Bonds12

About 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene

1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene (PubChem CID 151671980) has the molecular formula C17H25BrF2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene
PubChem CID151671980
Molecular FormulaC17H25BrF2O
Molecular Weight363.29 g/mol
Exact Mass362.11
IUPAC Name1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene
SMILESFC(F)CCCCCCCCCOc1ccc(CBr)cc1
InChIInChI=1S/C17H25BrF2O/c18-14-15-9-11-16(12-10-15)21-13-7-5-3-1-2-4-6-8-17(19)20/h9-12,17H,1-8,13-14H2
InChIKeyQYTAIDOOMLEAPT-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
CID 60921505
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-(bromomethyl)-4-[2-[2-[2-[4-(bromomethyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 59116280
1-(bromomethyl)-4-(5-phenoxypentyl)benzene
CID 14576783
N-decyl-4-(10,10-difluorodecoxy)aniline
CID 151807579
1-(bromomethyl)-2-(10,10-difluorodecoxy)benzene
CID 152671915
1-(bromomethyl)-4-(4-propoxyphenoxy)benzene
CID 107087461
[4-(bromomethyl)phenyl]-(4-butoxyphenyl)diazene
CID 101188432
1-(5-bromohexoxy)-4-hexylbenzene
CID 91231401
1-(bromomethyl)-4-(2-ethylbutoxy)benzene
CID 82929266
1-(bromomethyl)-4-(3,3-dimethylbutoxy)benzene
CID 63534329
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene?
The IUPAC name of 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene (CID 151671980) is 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene is FC(F)CCCCCCCCCOc1ccc(CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene?
The InChIKey is QYTAIDOOMLEAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrF2O/c18-14-15-9-11-16(12-10-15)21-13-7-5-3-1-2-4-6-8-17(19)20/h9-12,17H,1-8,13-14H2.
What are the key properties of 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene?
1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene has a molecular weight of 363.29 g/mol, XLogP of 6.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-(10,10-difluorodecoxy)benzene is sourced from PubChem (CID 151671980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).