(3S)-5-(dimethylamino)-3-fluoropentan-2-ol

C7H16FNO — CID 139565628

IUPAC(3S)-5-(dimethylamino)-3-fluoropentan-2-ol
SMILESCC(O)[C@@H](F)CCN(C)C
InChIInChI=1S/C7H16FNO/c1-6(10)7(8)4-5-9(2)3/h6-7,10H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyQYVVKSZLZDHLFW-MLWJPKLSSA-N
MW149.21 g/mol
LogP0.66
Rot. Bonds4

About (3S)-5-(dimethylamino)-3-fluoropentan-2-ol

(3S)-5-(dimethylamino)-3-fluoropentan-2-ol (PubChem CID 139565628) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is (3S)-5-(dimethylamino)-3-fluoropentan-2-ol.

Molecular Properties

Compound Name(3S)-5-(dimethylamino)-3-fluoropentan-2-ol
PubChem CID139565628
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name(3S)-5-(dimethylamino)-3-fluoropentan-2-ol
SMILESCC(O)[C@@H](F)CCN(C)C
InChIInChI=1S/C7H16FNO/c1-6(10)7(8)4-5-9(2)3/h6-7,10H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeyQYVVKSZLZDHLFW-MLWJPKLSSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(dimethylamino)-3-fluoropentan-2-ol?
The IUPAC name of (3S)-5-(dimethylamino)-3-fluoropentan-2-ol (CID 139565628) is (3S)-5-(dimethylamino)-3-fluoropentan-2-ol.
What is the SMILES notation for (3S)-5-(dimethylamino)-3-fluoropentan-2-ol?
The canonical SMILES for (3S)-5-(dimethylamino)-3-fluoropentan-2-ol is CC(O)[C@@H](F)CCN(C)C.
What is the InChIKey of (3S)-5-(dimethylamino)-3-fluoropentan-2-ol?
The InChIKey is QYVVKSZLZDHLFW-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(10)7(8)4-5-9(2)3/h6-7,10H,4-5H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of (3S)-5-(dimethylamino)-3-fluoropentan-2-ol?
(3S)-5-(dimethylamino)-3-fluoropentan-2-ol has a molecular weight of 149.21 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(dimethylamino)-3-fluoropentan-2-ol is sourced from PubChem (CID 139565628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).