(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol

C10H17FO — CID 129433767

IUPAC(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@]1(CF)[C@H]2CC[C@]1(C)[C@@H](O)C2
InChIInChI=1S/C10H17FO/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h7-8,12H,3-6H2,1-2H3/t7-,8-,9+,10-/m0/s1
InChIKeySJFZVYNLPRTAHB-QEYWKRMJSA-N
MW172.24 g/mol
LogP2.14
Rot. Bonds1

About (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 129433767) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID129433767
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC[C@]1(CF)[C@H]2CC[C@]1(C)[C@@H](O)C2
InChIInChI=1S/C10H17FO/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h7-8,12H,3-6H2,1-2H3/t7-,8-,9+,10-/m0/s1
InChIKeySJFZVYNLPRTAHB-QEYWKRMJSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 162928874
(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 162886605
formaldehyde;bis((1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol)
CID 174915941
phosphoric acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175476100
1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;urea
CID 170163545
(1S,2R,4R,7R)-1,7-bis(iodomethyl)-7-methylbicyclo[2.2.1]heptan-2-ol
CID 11090784
formic acid;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 175147458
(2R,3R,4S,5S,6R)-2-[[(1R,2S,4R,7S)-2-hydroxy-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11121133
7-ethyl-1,2,7-trimethylbicyclo[2.2.1]heptane
CID 142049190

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 129433767) is (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol is C[C@]1(CF)[C@H]2CC[C@]1(C)[C@@H](O)C2.
What is the InChIKey of (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is SJFZVYNLPRTAHB-QEYWKRMJSA-N. The full InChI is InChI=1S/C10H17FO/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h7-8,12H,3-6H2,1-2H3/t7-,8-,9+,10-/m0/s1.
What are the key properties of (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 172.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 129433767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).