(2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine

C3H9F3N3OP — CID 175773702

IUPAC(2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine
SMILESC[C@H](NP(N)(N)=O)C(F)(F)F
InChIInChI=1S/C3H9F3N3OP/c1-2(3(4,5)6)9-11(7,8)10/h2H,1H3,(H5,7,8,9,10)/t2-/m0/s1
InChIKeyJVLIUGTZWWNMBA-REOHCLBHSA-N
MW191.09 g/mol
LogP0.55
Rot. Bonds2

About (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine

(2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine (PubChem CID 175773702) has the molecular formula C3H9F3N3OP and a molecular weight of 191.09 g/mol. Its IUPAC name is (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name(2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine
PubChem CID175773702
Molecular FormulaC3H9F3N3OP
Molecular Weight191.09 g/mol
Exact Mass191.04
IUPAC Name(2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine
SMILESC[C@H](NP(N)(N)=O)C(F)(F)F
InChIInChI=1S/C3H9F3N3OP/c1-2(3(4,5)6)9-11(7,8)10/h2H,1H3,(H5,7,8,9,10)/t2-/m0/s1
InChIKeyJVLIUGTZWWNMBA-REOHCLBHSA-N
XLogP0.55
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.09
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine (CID 175773702) is (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine is C[C@H](NP(N)(N)=O)C(F)(F)F.
What is the InChIKey of (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine?
The InChIKey is JVLIUGTZWWNMBA-REOHCLBHSA-N. The full InChI is InChI=1S/C3H9F3N3OP/c1-2(3(4,5)6)9-11(7,8)10/h2H,1H3,(H5,7,8,9,10)/t2-/m0/s1.
What are the key properties of (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine?
(2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine has a molecular weight of 191.09 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-diaminophosphoryl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 175773702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).