cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane

C7H13F — CID 169143039

IUPACcis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
SMILESCC1C[C@@H](C)C[C@@H]1F
InChIInChI=1S/C7H13F/c1-5-3-6(2)7(8)4-5/h5-7H,3-4H2,1-2H3/t5-,6?,7+/m1/s1
InChIKeyNZNVXVKMMMAIAY-UYMSWOSGSA-N
MW116.18 g/mol
LogP2.39
Rot. Bonds

About cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane

cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane (PubChem CID 169143039) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane.

Molecular Properties

Compound Namecis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
PubChem CID169143039
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Namecis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
SMILESCC1C[C@@H](C)C[C@@H]1F
InChIInChI=1S/C7H13F/c1-5-3-6(2)7(8)4-5/h5-7H,3-4H2,1-2H3/t5-,6?,7+/m1/s1
InChIKeyNZNVXVKMMMAIAY-UYMSWOSGSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-3,5-dimethylcyclohexane
CID 89171069
1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140635472
cis-(4R,5S)-1-fluoro-2,4,5-trimethylcyclohexane
CID 122693333
methane;1,2,4-trimethylcyclopentane
CID 157268000
bis(1,3-difluoro-2,5-dimethylcyclohexane);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylcyclohexane);pentahydrate
CID 159094413
(1S,2S,4R)-2-fluoro-4-methylcyclopentan-1-ol
CID 176837705
2,3-difluoro-1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylcyclohexane);methane;molecular hydrogen;tetrahydrate
CID 158108017
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992
5-fluoro-2,4-dimethylcyclohexan-1-ol
CID 138514168
(1R,2R,4R)-1-fluoro-4-(iodomethyl)-2-methylcyclopentane
CID 58246556
4-tert-butyl-1-fluoro-2-methylcyclopentane
CID 170179064
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664

Frequently Asked Questions

What is the IUPAC name of cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane?
The IUPAC name of cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane (CID 169143039) is cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane.
What is the SMILES notation for cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane?
The canonical SMILES for cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane is CC1C[C@@H](C)C[C@@H]1F.
What is the InChIKey of cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane?
The InChIKey is NZNVXVKMMMAIAY-UYMSWOSGSA-N. The full InChI is InChI=1S/C7H13F/c1-5-3-6(2)7(8)4-5/h5-7H,3-4H2,1-2H3/t5-,6?,7+/m1/s1.
What are the key properties of cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane?
cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane has a molecular weight of 116.18 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane is sourced from PubChem (CID 169143039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).