5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene

C17H18F2O — CID 70398000

IUPAC5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene
SMILESCCCOC1(C=C(F)F)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C17H18F2O/c1-2-12-20-17(13-16(18)19)10-8-15(9-11-17)14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3
InChIKeyZFCWPGZNQPZMKS-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.98
Rot. Bonds5

About 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene

5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene (PubChem CID 70398000) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene
PubChem CID70398000
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene
SMILESCCCOC1(C=C(F)F)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C17H18F2O/c1-2-12-20-17(13-16(18)19)10-8-15(9-11-17)14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3
InChIKeyZFCWPGZNQPZMKS-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,3-difluoroprop-2-enyl)-5-nonyl-2-phenylcyclohexa-1,3-diene
CID 70397962
(1-pentoxy-4-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 174951146
5-bromo-5-hexoxy-2-phenylcyclohexa-1,3-diene
CID 174534699
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
butyl 1-bromo-4-phenylcyclohexa-2,4-diene-1-carboxylate
CID 67904983
5-bromo-5-butyl-2-phenylcyclohexa-1,3-diene
CID 169095921
CID 172735714
CID 172735714
1-hexoxy-4-(4-phenylphenyl)cyclohexa-2,4-diene-1-carbonitrile
CID 175508488
1-heptoxy-4-(4-phenylphenyl)cyclohexa-2,4-diene-1-carbonitrile;1-octoxy-4-(4-phenylphenyl)cyclohexa-2,4-diene-1-carbonitrile
CID 175573145
1-(1-butyl-4-phenylcyclohexa-2,4-dien-1-yl)ethanone
CID 174554144

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene?
The IUPAC name of 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene (CID 70398000) is 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene?
The canonical SMILES for 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene is CCCOC1(C=C(F)F)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene?
The InChIKey is ZFCWPGZNQPZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-2-12-20-17(13-16(18)19)10-8-15(9-11-17)14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3.
What are the key properties of 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene?
5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene has a molecular weight of 276.33 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethenyl)-2-phenyl-5-propoxycyclohexa-1,3-diene is sourced from PubChem (CID 70398000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).