trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid

C7H11FO2 — CID 96581659

IUPACtrans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H]1CF
InChIInChI=1S/C7H11FO2/c8-4-5-2-1-3-6(5)7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6-/m1/s1
InChIKeyMGOTVJGSPFSCDC-PHDIDXHHSA-N
MW146.16 g/mol
LogP1.46
Rot. Bonds2

About trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid

trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid (PubChem CID 96581659) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
PubChem CID96581659
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Nametrans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@@H]1CF
InChIInChI=1S/C7H11FO2/c8-4-5-2-1-3-6(5)7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6-/m1/s1
InChIKeyMGOTVJGSPFSCDC-PHDIDXHHSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669
cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid
CID 96581648
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid
CID 162341780
2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid
CID 81008981
2-(2,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486493
2-prop-2-ynylcyclopentane-1-carboxylic acid
CID 81009322
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid
CID 81020373
(2S)-2-(3-boronopropyl)cyclopentane-1-carboxylic acid
CID 69054314
trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 145395448
2-[(cyclopropylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806457

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid (CID 96581659) is trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CCC[C@@H]1CF.
What is the InChIKey of trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid?
The InChIKey is MGOTVJGSPFSCDC-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11FO2/c8-4-5-2-1-3-6(5)7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid?
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid has a molecular weight of 146.16 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 96581659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).