2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene

C17H24F2O2 — CID 174834345

IUPAC2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
SMILESCCCC(CC)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C17H24F2O2/c1-3-5-13(4-2)14-8-9-15(21-17(18)19)16(10-14)20-11-12-6-7-12/h8-10,12-13,17H,3-7,11H2,1-2H3
InChIKeyHAFNOCWNXQTQID-UHFFFAOYSA-N
MW298.37 g/mol
LogP5.37
Rot. Bonds9

About 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene

2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene (PubChem CID 174834345) has the molecular formula C17H24F2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
PubChem CID174834345
Molecular FormulaC17H24F2O2
Molecular Weight298.37 g/mol
Exact Mass298.17
IUPAC Name2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene
SMILESCCCC(CC)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIInChI=1S/C17H24F2O2/c1-3-5-13(4-2)14-8-9-15(21-17(18)19)16(10-14)20-11-12-6-7-12/h8-10,12-13,17H,3-7,11H2,1-2H3
InChIKeyHAFNOCWNXQTQID-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
CID 68521776
1-(cyclopropylmethoxy)-2-(difluoromethoxy)benzene
CID 54215709
methyl 2-[[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]amino]-2-oxoacetate
CID 54502547
3,5-dichloro-4-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propyl]pyridine
CID 71201853
[5-chlorooxy-4-[(2S)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-pyridinyl] hypochlorite
CID 134323952
1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]cyclohexan-1-ol
CID 68754552
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
N'-[cyano-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl]oxamide
CID 54255513
[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-4-pyridinyl)ethyl] propanoate
CID 71174216
4-[1-[1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1-oxidopyridin-1-ium
CID 25159310
ethyl 3-cyano-5-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]pentanoate
CID 169091022

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene?
The IUPAC name of 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene (CID 174834345) is 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene is CCCC(CC)c1ccc(OC(F)F)c(OCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene?
The InChIKey is HAFNOCWNXQTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2/c1-3-5-13(4-2)14-8-9-15(21-17(18)19)16(10-14)20-11-12-6-7-12/h8-10,12-13,17H,3-7,11H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene?
2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene has a molecular weight of 298.37 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-(difluoromethoxy)-4-hexan-3-ylbenzene is sourced from PubChem (CID 174834345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).