(1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane

C14H27FO — CID 169659017

IUPAC(1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane
SMILESCC[C@@H](C[C@@]1(CCCC1C)COC(C)C)F
InChIInChI=1S/C14H27FO/c1-5-13(15)9-14(10-16-11(2)3)8-6-7-12(14)4/h11-13H,5-10H2,1-4H3/t12?,13-,14-/m0/s1
InChIKeyKZCQDNXWRWUVBH-TTZKSVMKSA-N
MW230.36 g/mol
LogP4.70
Rot. Bonds6

About (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane

(1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane (PubChem CID 169659017) has the molecular formula C14H27FO and a molecular weight of 230.36 g/mol. Its IUPAC name is (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane.

Molecular Properties

Compound Name(1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane
PubChem CID169659017
Molecular FormulaC14H27FO
Molecular Weight230.36 g/mol
Exact Mass230.20
IUPAC Name(1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane
SMILESCC[C@@H](C[C@@]1(CCCC1C)COC(C)C)F
InChIInChI=1S/C14H27FO/c1-5-13(15)9-14(10-16-11(2)3)8-6-7-12(14)4/h11-13H,5-10H2,1-4H3/t12?,13-,14-/m0/s1
InChIKeyKZCQDNXWRWUVBH-TTZKSVMKSA-N
XLogP4.70
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity205

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
CID 59848424
2-(1,1-Difluoro-2,2-dimethylbutyl)-3-methyloxolane
CID 71126485
(3R)-2,3-ditert-butyl-6-(fluoromethyl)oxane
CID 89936042
7-[1-(5-Fluoro-4,4-dimethylpentan-2-yl)oxyethyl]tridecane
CID 134514853
3-(2,2-dimethylpropyl)-4-fluoro-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 138627533
2-(2-Fluoroethoxy)-5,6,9-trimethyldecane
CID 144978902
(2R,3R,4R,5S)-2-(2,2-dimethylpropyl)-4-fluoro-3,5-dimethyloxolane
CID 157132064
(2R,3S,5S)-3-tert-butyl-2-(2,2-dimethylpropyl)-4-fluoro-5-methyloxolane
CID 161940418
(2S,3S,5R)-2,4-ditert-butyl-5-(2,2-dimethylpropyl)-3-fluorooxolane
CID 168820223
(2S,4S,5R)-2,4-ditert-butyl-5-(2,2-dimethylpropyl)-3-fluorooxolane
CID 168837696
(2R)-1-[1-(1-fluorobutan-2-yloxy)ethyl]-1,2-dimethylcyclohexane
CID 169661020
2-Tert-butyl-5-fluoro-4,5-dimethyloxane
CID 170179077

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane?
The IUPAC name of (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane (CID 169659017) is (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane.
What is the SMILES notation for (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane?
The canonical SMILES for (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane is CC[C@@H](C[C@@]1(CCCC1C)COC(C)C)F.
What is the InChIKey of (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane?
The InChIKey is KZCQDNXWRWUVBH-TTZKSVMKSA-N. The full InChI is InChI=1S/C14H27FO/c1-5-13(15)9-14(10-16-11(2)3)8-6-7-12(14)4/h11-13H,5-10H2,1-4H3/t12?,13-,14-/m0/s1.
What are the key properties of (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane?
(1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane has a molecular weight of 230.36 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-2-fluorobutyl]-2-methyl-1-(propan-2-yloxymethyl)cyclopentane is sourced from PubChem (CID 169659017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).