cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane

C11H17F — CID 174102634

IUPACcis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane
SMILESC=C(F)/C=C1/[C@H](CC)CC[C@H]1C
InChIInChI=1S/C11H17F/c1-4-10-6-5-8(2)11(10)7-9(3)12/h7-8,10H,3-6H2,1-2H3/b11-7+/t8-,10-/m1/s1
InChIKeyDKQXOGQASATZNX-RZDVKGBDSA-N
MW168.25 g/mol
LogP3.85
Rot. Bonds2

About cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane

cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane (PubChem CID 174102634) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane.

Molecular Properties

Compound Namecis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane
PubChem CID174102634
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Namecis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane
SMILESC=C(F)/C=C1/[C@H](CC)CC[C@H]1C
InChIInChI=1S/C11H17F/c1-4-10-6-5-8(2)11(10)7-9(3)12/h7-8,10H,3-6H2,1-2H3/b11-7+/t8-,10-/m1/s1
InChIKeyDKQXOGQASATZNX-RZDVKGBDSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 154692074
1,3-diethyl-2-methylidenecyclohexane
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6-(2-methylprop-2-enylidene)bicyclo[3.1.0]hexane
CID 13280446
ethylcyclobutane;tris(2-methylprop-2-enoic acid)
CID 67802354
ethyl (2E)-2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohexylidene]acetate
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ethylcycloheptane;2-methylprop-2-enoic acid
CID 68583536
1,1,1-trifluoro-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]but-3-en-2-ol
CID 69454243
(2E)-2-[(2R)-2-ethyl-7-methyl-4-propan-2-ylcycloheptylidene]but-3-enal
CID 122535959
3-(2,7-dimethylcycloheptylidene)propanal
CID 71395974
2-(2-ethylcyclopentylidene)acetonitrile
CID 104865537
(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11412678
(3R,6R)-3-ethyl-6-methylpiperidin-2-one
CID 122155636

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane?
The IUPAC name of cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane (CID 174102634) is cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane.
What is the SMILES notation for cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane?
The canonical SMILES for cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane is C=C(F)/C=C1/[C@H](CC)CC[C@H]1C.
What is the InChIKey of cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane?
The InChIKey is DKQXOGQASATZNX-RZDVKGBDSA-N. The full InChI is InChI=1S/C11H17F/c1-4-10-6-5-8(2)11(10)7-9(3)12/h7-8,10H,3-6H2,1-2H3/b11-7+/t8-,10-/m1/s1.
What are the key properties of cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane?
cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane has a molecular weight of 168.25 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 cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane is sourced from PubChem (CID 174102634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).