1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane

C17H30F2 — CID 144859039

IUPAC1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(C(C)C(F)C(F)C(C)CC)CC1
InChIInChI=1S/C17H30F2/c1-5-7-14-8-10-15(11-9-14)13(4)17(19)16(18)12(3)6-2/h5,7,12-17H,6,8-11H2,1-4H3/b7-5+
InChIKeyUGYMPAYVQUHDIE-FNORWQNLSA-N
MW272.42 g/mol
LogP5.73
Rot. Bonds6

About 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane

1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane (PubChem CID 144859039) has the molecular formula C17H30F2 and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane
PubChem CID144859039
Molecular FormulaC17H30F2
Molecular Weight272.42 g/mol
Exact Mass272.23
IUPAC Name1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(C(C)C(F)C(F)C(C)CC)CC1
InChIInChI=1S/C17H30F2/c1-5-7-14-8-10-15(11-9-14)13(4)17(19)16(18)12(3)6-2/h5,7,12-17H,6,8-11H2,1-4H3/b7-5+
InChIKeyUGYMPAYVQUHDIE-FNORWQNLSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.42
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-prop-1-enyl]cyclohexyl]butanal
CID 101297914
1-(1-methoxyethyl)-4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexane
CID 67762033
1-ethyl-4-[(E)-prop-1-enyl]cyclohexane
CID 59981886
5-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]hexan-2-ol
CID 142188174
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
CID 123401956
prop-1-enylcyclododecane
CID 139760926
1-prop-1-enyl-4-propoxycyclohexane
CID 54480397
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
[(2S)-3-fluorobutan-2-yl]cyclopropane
CID 170226642
1-[4-(3,4-difluoro-5-methyloctan-2-yl)cyclohexyl]-2,3-difluoro-4-methylcyclohexane
CID 142417603
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane?
The IUPAC name of 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane (CID 144859039) is 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1CCC(C(C)C(F)C(F)C(C)CC)CC1.
What is the InChIKey of 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is UGYMPAYVQUHDIE-FNORWQNLSA-N. The full InChI is InChI=1S/C17H30F2/c1-5-7-14-8-10-15(11-9-14)13(4)17(19)16(18)12(3)6-2/h5,7,12-17H,6,8-11H2,1-4H3/b7-5+.
What are the key properties of 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane?
1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 272.42 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluoro-5-methylheptan-2-yl)-4-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 144859039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).