6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene

C10H13F3 — CID 70308397

IUPAC6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCCCC1CC=CC=C1C(F)(F)F
InChIInChI=1S/C10H13F3/c1-2-5-8-6-3-4-7-9(8)10(11,12)13/h3-4,7-8H,2,5-6H2,1H3
InChIKeyXOOQNDPJEJOSTD-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.85
Rot. Bonds2

About 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene

6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 70308397) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID70308397
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCCCC1CC=CC=C1C(F)(F)F
InChIInChI=1S/C10H13F3/c1-2-5-8-6-3-4-7-9(8)10(11,12)13/h3-4,7-8H,2,5-6H2,1H3
InChIKeyXOOQNDPJEJOSTD-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

o-Mentha-1(7),5,8-triene
CID 71403442
Cyclohexene, 4-methyl-3-(1-methylethylidene)-
CID 564722
(R)-2,6-Dimethyl-8,8-difluoro-2-octene
CID 101488936
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
5-Methyl-1-vinyl-1-cyclohexene
CID 13382650
2-Methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641387
1-Methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641388
1-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22171100
(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene
CID 134942847
3-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
CID 134981984
(R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene
CID 162623291
1,1-Difluoro-4,8-dimethylnona-1,7-diene
CID 164674098

Frequently Asked Questions

What is the IUPAC name of 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene (CID 70308397) is 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene is CCCC1CC=CC=C1C(F)(F)F.
What is the InChIKey of 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is XOOQNDPJEJOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3/c1-2-5-8-6-3-4-7-9(8)10(11,12)13/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene?
6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 190.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 70308397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).