(2S)-2-amino-4,4,4-trifluorobutane-1,3-diol

C4H8F3NO2 — CID 140762693

IUPAC(2S)-2-amino-4,4,4-trifluorobutane-1,3-diol
SMILESN[C@@H](CO)C(O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2/c5-4(6,7)3(10)2(8)1-9/h2-3,9-10H,1,8H2/t2-,3?/m0/s1
InChIKeyLNFSKSQOOSRLOX-SCQFTWEKSA-N
MW159.11 g/mol
LogP-0.77
Rot. Bonds2

About (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol

(2S)-2-amino-4,4,4-trifluorobutane-1,3-diol (PubChem CID 140762693) has the molecular formula C4H8F3NO2 and a molecular weight of 159.11 g/mol. Its IUPAC name is (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol.

Molecular Properties

Compound Name(2S)-2-amino-4,4,4-trifluorobutane-1,3-diol
PubChem CID140762693
Molecular FormulaC4H8F3NO2
Molecular Weight159.11 g/mol
Exact Mass159.05
IUPAC Name(2S)-2-amino-4,4,4-trifluorobutane-1,3-diol
SMILESN[C@@H](CO)C(O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2/c5-4(6,7)3(10)2(8)1-9/h2-3,9-10H,1,8H2/t2-,3?/m0/s1
InChIKeyLNFSKSQOOSRLOX-SCQFTWEKSA-N
XLogP-0.77
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.11
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Threoninol
CID 2033049
(2S,3S)-2-Amino-1,3-butanediol
CID 7020320
3-Amino-1,1,1-trifluorobutan-2-ol hydrochloride
CID 14503245
2-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 53416432
(2S)-2-amino-4,4,4-trifluorobutan-1-ol
CID 86669707
3-Amino-4,4,4-trifluorobutan-2-ol
CID 121553827
(2R,3R)-2-aminobutane-1,3-diol hydrochloride
CID 122236265
3-Amino-4,4,4-trifluorobutan-2-ol hydrochloride
CID 132168370
3-Amino-1,1-difluorobutan-2-ol
CID 47003183
3-Amino-1,1-difluoropentan-2-ol hydrochloride
CID 121552371
rac-(2R,3R)-3-amino-4,4,4-trifluorobutan-2-ol
CID 122236482
2-Amino-3-(difluoromethoxy)propan-1-ol hydrochloride
CID 167742075

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol?
The IUPAC name of (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol (CID 140762693) is (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol.
What is the SMILES notation for (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol?
The canonical SMILES for (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol is N[C@@H](CO)C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol?
The InChIKey is LNFSKSQOOSRLOX-SCQFTWEKSA-N. The full InChI is InChI=1S/C4H8F3NO2/c5-4(6,7)3(10)2(8)1-9/h2-3,9-10H,1,8H2/t2-,3?/m0/s1.
What are the key properties of (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol?
(2S)-2-amino-4,4,4-trifluorobutane-1,3-diol has a molecular weight of 159.11 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,4,4-trifluorobutane-1,3-diol is sourced from PubChem (CID 140762693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).